3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one
TL;DR: 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one (CAS 15731-93-8) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-4H-1,2-oxazol-5-one
Also Known As: 3,4-dimethylisoxazol-5(4H)-one, 3,4-dimethyl-4H-1,2-oxazol-5-one, 3,4-dimethylisoxazolin-5-one, 3,4-Dimethylisoxazolin-5-on, 3,4-dimethyl-4H-isoxazol-5-one
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 15731-93-8 |
|---|---|
| SMILES | CC1C(=NOC1=O)C |
| InChIKey | UYYXCVRLRKSYAA-UHFFFAOYSA-N |
Product Overview
3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one (CAS 15731-93-8), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 3,4-dimethyl-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one
Property Insights of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one. With a topological polar surface area (TPSA) of 38.7 Ų, 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one?
The CAS number of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one is 15731-93-8.
What is the molecular formula of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one?
The molecular formula of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one is C5H7NO2.
What is the molecular weight of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one?
The molecular weight of 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one is 113.05 g/mol.
Where can I buy 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one?
You can request a quote for 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-4,5-dihydro-1,2-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.